Data processing of three-dimensional vibrational spectroscopic chemical images for pharmaceutical applications

Carruthers, Hannah and Clark, Don and Clarke, Fiona C. and Faulds, Karen and Graham, Duncan (2022) Data processing of three-dimensional vibrational spectroscopic chemical images for pharmaceutical applications. Journal of Spectral Imaging, 11. a3. ISSN 2040-4565 (https://doi.org/10.1255/jsi.2022.a3)

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Abstract

Vibrational spectroscopic chemical imaging is a powerful tool in the pharmaceutical industry to assess the spatial distribution of components within pharmaceutical samples. Recently, the combination of vibrational spectroscopic chemical mapping with serial sectioning has provided a means to visualise the three-dimensional (3D) structure of a tablet matrix. There are recognised knowledge gaps in current tablet manufacturing processes, particularly regarding the size, shape and distribution of components within the final drug product. The performance of pharmaceutical tablets is known to be primarily influenced by the physical and chemical properties of the formulation. Here, we describe the data processing methods required to extract quantitative domain size and spatial distribution statistics from 3D vibrational spectroscopic chemical images. This provides a means to quantitatively describe the microstructure of a tablet matrix and is a powerful tool to overcome knowledge gaps in current tablet manufacturing processes, optimising formulation development.